CID 100964

2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3h),9'-[9h]xanthene]-3-one

Structural Information

Molecular Formula
C36H30N2O3
SMILES
CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)NC7=CC=CC=C7)C
InChI
InChI=1S/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3
InChIKey
IXHBSOXJLNEOPY-UHFFFAOYSA-N
Compound name
2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2126
Patents

538.22565 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.23293 235.2
[M+Na]+ 561.21487 242.4
[M-H]- 537.21837 251.2
[M+NH4]+ 556.25947 243.5
[M+K]+ 577.18881 237.7
[M+H-H2O]+ 521.22291 221.5
[M+HCOO]- 583.22385 251.2
[M+CH3COO]- 597.23950 242.6
[M+Na-2H]- 559.20032 236.5
[M]+ 538.22510 237.6
[M]- 538.22620 237.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe